SCHEMBL5716741

SCHEMBL5716741

COc1cc2cc(-c3ccc(C=O)cc3OC)n(S(=O)(=O)c3ccccc3)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.37
EGFR P00533 2/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 7/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5716763 0.81 TTR (0.39) TTREGFRMAPTALDH1A1NPC1
SCHEMBL5716795 0.80 CYP2C19 (0.42) TTREGFRMAPTALDH1A1NPC1
SCHEMBL16638211 0.71 HTR6 (0.51) ALDH1A1HTTLMNAKDM4EHDAC3
SCHEMBL5716701 0.70 TUBB4A (0.51) MAPTALDH1A1SMN1; SMN2LMNAHDAC3
SCHEMBL5716683 0.69 CA12 (0.44) ALDH1A1TSHRHDAC3HDAC4HDAC1
SCHEMBL5716752 0.69 HDAC3 (0.49) MAPTALDH1A1NPC1RAB9AHTT
SCHEMBL6117240 0.68 CA12 (0.55) MAPTALDH1A1HDAC3HDAC4HDAC1
SCHEMBL5716674 0.68 HTR6 (0.62) ALDH1A1HTTTSHRLMNAMEN1
SCHEMBL15751116 0.67 ALDH3A1 (0.36) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL5716734 0.66 ALDH1A1 (0.42) TTREGFRMAPTALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1276720-B1 2-ACYL INDOL DERIVATIVES AND THEIR USE AS ANTI-TUMOUR AGENTS BAXTER HEALTHCARE SA (CH) 2006-12-20 EP disclosed
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents BAXTER ONCOLOGY GMBH 2003-08-21 US disclosed
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents BECKERS THOMAS (DE) 2002-07-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030158216-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT TTR 4557/4885EGFR 1813/4885MAPT 223/4885
US-20020091124-A1 2-acyl indole derivatives and their use as antitumor agents IDO1, IDO2, INMT TTR 4557/4885EGFR 1813/4885MAPT 223/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.